1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione

C25H20FNO4 — CID 123469121

IUPAC1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
SMILESCOc1ccccc1C1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C25H20FNO4/c1-15-7-9-16(10-8-15)23(28)21-22(19-5-3-4-6-20(19)31-2)27(25(30)24(21)29)18-13-11-17(26)12-14-18/h3-14,21-22H,1-2H3
InChIKeyRHDRPBHWAKXSDL-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione

1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione (PubChem CID 123469121) has the molecular formula C25H20FNO4 and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
PubChem CID123469121
Molecular FormulaC25H20FNO4
Molecular Weight417.44 g/mol
Exact Mass417.14
IUPAC Name1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
SMILESCOc1ccccc1C1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C25H20FNO4/c1-15-7-9-16(10-8-15)23(28)21-22(19-5-3-4-6-20(19)31-2)27(25(30)24(21)29)18-13-11-17(26)12-14-18/h3-14,21-22H,1-2H3
InChIKeyRHDRPBHWAKXSDL-UHFFFAOYSA-N
XLogP4.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione (CID 123469121) is 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione is COc1ccccc1C1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione?
The InChIKey is RHDRPBHWAKXSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4/c1-15-7-9-16(10-8-15)23(28)21-22(19-5-3-4-6-20(19)31-2)27(25(30)24(21)29)18-13-11-17(26)12-14-18/h3-14,21-22H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione?
1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione has a molecular weight of 417.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 123469121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).